Thermodynamic Analysis of Chemical Hydrogen Storage: Energetics of Liquid Organic Hydrogen Carrier Systems Based on Methyl-Substituted Indoles

Author:

Vostrikov Sergey V.1,Samarov Artemiy A.2ORCID,Turovtsev Vladimir V.3,Wasserscheid Peter45,Müller Karsten56ORCID,Verevkin Sergey P.78ORCID

Affiliation:

1. Chemical-Technological Department, Samara State Technical University, 443100 Samara, Russia

2. Department of Chemical Thermodynamics and Kinetics, Saint Petersburg State University, 198504 Saint Petersburg, Russia

3. Department of Physics, Tver State Medical University, 170100 Tver, Russia

4. Institute of Chemical Reaction Engineering, Friedrich-Alexander-Universität Erlangen-Nürnberg, Egerlandstr. 3, 91058 Erlangen, Germany

5. Forschungszentrum Jülich GmbH, Helmholtz Institute Erlangen-Nürnberg for Renewable Energy (IEK-11), Egerlandstr. 3, 91058 Erlangen, Germany

6. Institute of Technical Thermodynamics, University of Rostock, Albert-Einstein Str. 2, 18059 Rostock, Germany

7. Competence Centre CALOR of the Department Life, Light & Matter, Faculty of Interdisciplinary Research, University of Rostock, 18059 Rostock, Germany

8. Department of Physical Chemistry, Kazan Federal University, 420008 Kazan, Russia

Abstract

Liquid organic hydrogen carriers can store hydrogen in a safe and dense form through covalent bonds. Hydrogen uptake and release are realized by catalytic hydrogenation and dehydrogenation, respectively. Indoles have been demonstrated to be interesting candidates for this task. The enthalpy of reaction is a crucial parameter in this regard as it determines not only the heat demand for hydrogen release, but also the reaction equilibrium at given conditions. In this work, a combination of experimental measurements, quantum chemical methods and a group-additivity approach has been applied to obtain a consistent dataset on the enthalpies of formation of different methylated indole derivatives and their hydrogenated counterparts. The results show a namable influence of the number and position of methyl groups on the enthalpy of reaction. The enthalpy of reaction of the overall hydrogenation reaction varies in the range of up to 18.2 kJ·mol−1 (corresponding to 4.6 kJ·mol(H2)−1). The widest range of enthalpy of reaction data for different methyl indoles has been observed for the last step (hydrogenation for the last double bond in the five-membered ring). Here a difference of up to 7.3 kJ·mol(H2)−1 between the highest and the lowest value was found.

Funder

Ministry of Science and Higher Education of the Russian Federation

DAAD

Kazan Federal University Strategic Academic Leadership Program

Publisher

MDPI AG

Subject

General Materials Science

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